Muller, Richard P.

Combined from CaltechAUTHORS

• Keith, Jason M. and Muller, Richard P., et el. (2006) Mechanism of Direct Molecular Oxygen Insertion in a Palladium(II)−Hydride Bond; Inorganic Chemistry; Vol. 45; No. 24; 9631-9633; 10.1021/ic061392z
• Ma, Qisheng and Chakraborty, Deb, et el. (2006) Alkylation of Phenol: A Mechanistic View; Journal of Physical Chemistry A; Vol. 110; No. 6; 2246-2252; 10.1021/jp0560213
• Kang, Jeung Ku and Kim, Se Yun, et el. (2005) A candidate LiBH4 for hydrogen storage: Crystal structures and reaction mechanisms of intermediate phases; Applied Physics Letters; Vol. 87; No. 11; Art. No. 111904; 10.1063/1.2042632
• Yung, Yuk L. and Liang, Mao-Chang, et el. (2005) Reply to comment by Röckmann and Kaiser on "Evidence for O-atom exchange in the O(^1D) + N_2O reaction as the source of mass-independent isotopic fractionation in atmospheric N_2O"; Geophysical Research Letters; Vol. 32; No. 11; Art. No. L11808; 10.1029/2005GL022669
• Xu, Xin and Zhang, Qingsong, et el. (2005) An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems; Journal of Chemical Physics; Vol. 122; No. 1; Art. No. 014105; 10.1063/1.1812257
• Kang, Jeung Ku and Lee, Jai Young, et el. (2004) Hydrogen storage in LiAlH4: Predictions of the crystal structures and reaction mechanisms of intermediate phases from quantum mechanics; Journal of Chemical Physics; Vol. 121; No. 21; 10623-10633; 10.1063/1.1795731
• Deng, Wei-Qiao and Muller, Richard P., et el. (2004) Mechanism of the Stoddart−Heath Bistable Rotaxane Molecular Switch; Journal of the American Chemical Society; Vol. 126; No. 42; 13562-13563; 10.1021/ja036498x
• Deng, Wei-Qiao and Muller, Richard P., et el. (2004) Mechanism of the Stoddart-Heath Bistable Rotaxane Molecular Switch; Journal of the American Chemical Society; Vol. 126; No. 42; 13562-13563; 10.1021/ja036498x
• Yung, Yuk L. and Liang, Mao-Chang, et el. (2004) Evidence for O-atom exchange in the O(^1D) + N_2O reaction as the source of mass-independent isotopic fractionation in atmospheric N_2O; Geophysical Research Letters; Vol. 31; No. 19; Art. No. L19106; 10.1029/2004GL020950
• Oxgaard, Jonas and Muller, Richard P., et el. (2004) Mechanism of Homogeneous Ir(III) Catalyzed Regioselective Arylation of Olefins; Journal of the American Chemical Society; Vol. 126; No. 1; 352-363; 10.1021/ja034126i
• Jacob, Timo and Muller, Richard P., et el. (2003) Chemisorption of Atomic Oxygen on Pt(111) from DFT Studies of Pt-Clusters; Journal of Physical Chemistry B; Vol. 107; No. 35; 9465-9476; 10.1021/jp030716r
• Muller, Richard P. and Philipp, Dean M., et el. (2003) Quantum Mechanical–Rapid Prototyping Applied to Methane Activation; Topics in Catalysis; Vol. 23; No. 1/4; 81-98; 10.1023/a:1024872320512
• Philipp, Dean M. and Muller, Richard P., et el. (2002) Computational Insights on the Challenges for Polymerizing Polar Monomers; Journal of the American Chemical Society; Vol. 124; No. 34; 10198-10210; 10.1021/ja0157705
• Kent, D. R., IV and Petterson, Krag A., et el. (2002) An NMR and Quantum-Mechanical Investigation of Tetrahydrofuran Solvent Effects on the Conformational Equilibria of 1,4-Butanedioic Acid and Its Salts; Journal of the American Chemical Society; Vol. 124; No. 16; 4481-4486; 10.1021/ja012016a
• Xu, Xin and Muller, Richard P., et el. (2002) The gas phase reaction of singlet dioxygen with water: A water-catalyzed mechanism; Proceedings of the National Academy of Sciences of the United States of America; Vol. 99; No. 6; 3376-3381; PMCID PMC122531; 10.1073/pnas.052710099
• Gansterer, Wilfried and Ward, Robert C., et el. (2002) An extension of the divide-and-conquer method for a class of symmetric block-tridiagonal eigenproblems; ACM Transactions on Mathematical Software (TOMS); Vol. 28; No. 1; 45-58; 10.1145/513001.513004
• Chakraborty, Debashis and Muller, Richard P., et el. (2001) A detailed model for the decomposition of nitramines: RDX and HMX; Journal of Computer-Aided Materials Design; Vol. 8; No. 2-3; 203-212; 10.1023/a:1020074113000
• Chakraborty, Debashis and Muller, Richard P., et el. (2001) Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study; Journal of Physical Chemistry A; Vol. 105; No. 8; 1302-1314; 10.1021/jp0026181
• Chakraborty, Debashis and Muller, Richard P., et el. (2000) The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio Study; Journal of Physical Chemistry A; Vol. 104; No. 11; 2261-2272; 10.1021/jp9936953
• Langlois, Jean-Marc and Yamasaki, Terumasa, et el. (1994) Rule-Based Trial Wave Functions for Generalized Valence Bond Theory; Journal of Physical Chemistry; Vol. 98; No. 51; 13498-13505; 10.1021/j100102a012